! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl  -0.4022515529  -1.0686082498  -2.7510334881
Cl  -3.7716126329   0.1689377341   1.2493643712
O    1.3638493055   0.8015426788  -1.4998348798
O    1.1070267797  -1.2497218773   2.3641359160
O    2.5900828833   0.4132652266   2.3353565815
C    3.3094626589  -0.1764506739  -0.3961773828
C    2.5898646881   1.0898106756  -0.8292076405
C    2.5150654869  -1.1280177104   0.4882139275
C    0.2190626047   0.6926658712  -0.8081458276
C    2.0888013618  -0.5498693163   1.8076539290
C   -0.7535648983  -0.1716695303  -1.3194525700
C   -0.0832043427   1.3983471683   0.3524733470
C   -1.9811967439  -0.3319005761  -0.7029076952
C   -1.3025541807   1.2354864097   0.9903949244
C   -2.2447610965   0.3733465489   0.4599870525
H    4.2273364774   0.1319357502   0.1097699106
H    3.6223107200  -0.7302390995  -1.2835749210
H    3.2031058748   1.6218002394  -1.5561679219
H    2.4420983003   1.7709231204   0.0095331876
H    3.1406779386  -1.9972554779   0.7187940997
H    1.6500716741  -1.5390373920  -0.0358902208
H    0.6228455160   2.0985811684   0.7759166308
H   -2.7133348143  -1.0095314998  -1.1206487058
H   -1.5091403281   1.7942904205   1.8928575964
H    0.8778558538  -0.8751479872   3.2274197926
*